(2S)-1-(4-ethylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: (2S)-1-(4-ethylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2S)-1-(4-ethylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: (2S)-1-(4-ethylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2S)-1-(4-ethylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2S)-1-(4-ethylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2C)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NN=C(N2C)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3OS/c1-4-15-10-12-16(13-11-15)18(24)14(2)25-20-22-21-19(23(20)3)17-8-6-5-7-9-17/h5-14H,4H2,1-3H3/t14-/m0/s1